4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide

C22H24BrN3O4 — CID 38046364

IUPAC4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H24BrN3O4/c1-30-19-4-2-3-17(15-19)22(29)26-13-11-25(12-14-26)20(27)9-10-24-21(28)16-5-7-18(23)8-6-16/h2-8,15H,9-14H2,1H3,(H,24,28)
InChIKeyBJKJWURACPDVNZ-UHFFFAOYSA-N
MW474.36 g/mol
LogP2.56
Rot. Bonds6

About 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide

4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 38046364) has the molecular formula C22H24BrN3O4 and a molecular weight of 474.36 g/mol. Its IUPAC name is 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID38046364
Molecular FormulaC22H24BrN3O4
Molecular Weight474.36 g/mol
Exact Mass473.10
IUPAC Name4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H24BrN3O4/c1-30-19-4-2-3-17(15-19)22(29)26-13-11-25(12-14-26)20(27)9-10-24-21(28)16-5-7-18(23)8-6-16/h2-8,15H,9-14H2,1H3,(H,24,28)
InChIKeyBJKJWURACPDVNZ-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 38046701
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
3-methoxy-N-[3-oxo-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 90651512
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
[3-[4-[3-(4-bromophenyl)propanoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926777
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide (CID 38046364) is 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide is COc1cccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is BJKJWURACPDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O4/c1-30-19-4-2-3-17(15-19)22(29)26-13-11-25(12-14-26)20(27)9-10-24-21(28)16-5-7-18(23)8-6-16/h2-8,15H,9-14H2,1H3,(H,24,28).
What are the key properties of 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide?
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 474.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 38046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).